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	hartrees
Energy at 0K	-3530.451351
Energy at 298.15K
HF Energy	-3529.830272
Nuclear repulsion energy	392.510290

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3198	3081	1.58
2	A'	1213	1169	33.03
3	A'	753	725	99.74
4	A'	618	596	10.45
5	A'	336	324	0.13
6	A'	228	220	0.04
7	A"	1242	1196	19.21
8	A"	794	765	112.79
9	A"	222	214	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.678	-0.129	0.000
H2	-1.592	0.471	0.000
Br3	0.820	1.112	0.000
Cl4	-0.678	-1.136	1.469
Cl5	-0.678	-1.136	-1.469

	C1	H2	Br3	Cl4	Cl5
C1		1.0933	1.9451	1.7812	1.7812
H2	1.0933		2.4958	2.3613	2.3613
Br3	1.9451	2.4958		3.0752	3.0752
Cl4	1.7812	2.3613	3.0752		2.9381
Cl5	1.7812	2.3613	3.0752	2.9381

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.097	H2	C1	Cl4	108.062
H2	C1	Cl5	108.062	Br3	C1	Cl4	111.156
Br3	C1	Cl5	111.156	Cl4	C1	Cl5	111.122

All results from a given calculation for CHBrCl₂ (Methane, bromodichloro-)

using model chemistry: CCSD/aug-cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CHBrCl2 (Methane, bromodichloro-)

using model chemistry: CCSD/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHBrCl₂ (Methane, bromodichloro-)